5-phenyl-4-thiophen-2-ylpyrazolidin-3-amine

C13H15N3S — CID 76945458

IUPAC5-phenyl-4-thiophen-2-ylpyrazolidin-3-amine
SMILESNC1NNC(c2ccccc2)C1c1cccs1
InChIInChI=1S/C13H15N3S/c14-13-11(10-7-4-8-17-10)12(15-16-13)9-5-2-1-3-6-9/h1-8,11-13,15-16H,14H2
InChIKeyKHNOHXPJAVNIHH-UHFFFAOYSA-N
MW245.35 g/mol
LogP1.97
Rot. Bonds2

About 5-phenyl-4-thiophen-2-ylpyrazolidin-3-amine

5-phenyl-4-thiophen-2-ylpyrazolidin-3-amine (PubChem CID 76945458) has the molecular formula C13H15N3S and a molecular weight of 245.35 g/mol. Its IUPAC name is 5-phenyl-4-thiophen-2-ylpyrazolidin-3-amine.

Molecular Properties

Compound Name5-phenyl-4-thiophen-2-ylpyrazolidin-3-amine
PubChem CID76945458
Molecular FormulaC13H15N3S
Molecular Weight245.35 g/mol
Exact Mass245.10
IUPAC Name5-phenyl-4-thiophen-2-ylpyrazolidin-3-amine
SMILESNC1NNC(c2ccccc2)C1c1cccs1
InChIInChI=1S/C13H15N3S/c14-13-11(10-7-4-8-17-10)12(15-16-13)9-5-2-1-3-6-9/h1-8,11-13,15-16H,14H2
InChIKeyKHNOHXPJAVNIHH-UHFFFAOYSA-N
XLogP1.97
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-4-thiophen-2-ylpyrazolidin-3-amine?
The IUPAC name of 5-phenyl-4-thiophen-2-ylpyrazolidin-3-amine (CID 76945458) is 5-phenyl-4-thiophen-2-ylpyrazolidin-3-amine.
What is the SMILES notation for 5-phenyl-4-thiophen-2-ylpyrazolidin-3-amine?
The canonical SMILES for 5-phenyl-4-thiophen-2-ylpyrazolidin-3-amine is NC1NNC(c2ccccc2)C1c1cccs1.
What is the InChIKey of 5-phenyl-4-thiophen-2-ylpyrazolidin-3-amine?
The InChIKey is KHNOHXPJAVNIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S/c14-13-11(10-7-4-8-17-10)12(15-16-13)9-5-2-1-3-6-9/h1-8,11-13,15-16H,14H2.
What are the key properties of 5-phenyl-4-thiophen-2-ylpyrazolidin-3-amine?
5-phenyl-4-thiophen-2-ylpyrazolidin-3-amine has a molecular weight of 245.35 g/mol, XLogP of 1.97, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-4-thiophen-2-ylpyrazolidin-3-amine is sourced from PubChem (CID 76945458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).